2-[2-(4-butylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 2-[2-(4-butylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Openeye Name: 2-[2-(4-butylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one CAS Name: 2-[2-(4-butylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-[2-(4-butylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Traditional Name: 2-[2-(4-butylphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3C(=O)N(C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3C(=O)N(C2)C

InChI

InChI=1S/C22H27N3O/c1-3-4-7-17-10-12-18(13-11-17)14-15-23-21-16-25(2)22(26)19-8-5-6-9-20(19)24-21/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,23,24)