N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-(2-ketochromen-3-yl)benzamide Formula: C30H28ClN3O4 MolecularWeight: 530.01402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)Cl

InChI

InChI=1S/C30H28ClN3O4/c1-2-6-28(35)34-15-13-33(14-16-34)26-12-11-23(19-25(26)31)32-29(36)22-9-5-8-20(17-22)24-18-21-7-3-4-10-27(21)38-30(24)37/h3-5,7-12,17-19H,2,6,13-16H2,1H3,(H,32,36)