2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]carbonylphenyl]-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]carbonylphenyl]-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-[4-[[4-[3-(dimethylamino)propyl]-1-piperazinyl]-oxomethyl]phenyl]-4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C35H45N5O4 MolecularWeight: 599.7629

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=C(C=C5)C(=O)N6CCN(CC6)CCCN(C)C)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=C(C=C5)C(=O)N6CCN(CC6)CCCN(C)C)C

InChI

InChI=1S/C35H45N5O4/c1-35(2)23-29-27(15-16-30(43-5)32(29)44-35)31-26-9-6-7-10-28(26)34(42)40(36-31)25-13-11-24(12-14-25)33(41)39-21-19-38(20-22-39)18-8-17-37(3)4/h6-7,11-16,26,28H,8-10,17-23H2,1-5H3