3-azanyl-5-(4-methylpiperazin-1-yl)-1-propyl-3H-1,4-benzodiazepin-2-one; ethanoic acid

Systemtic Name: 3-azanyl-5-(4-methylpiperazin-1-yl)-1-propyl-3H-1,4-benzodiazepin-2-one; ethanoic acid Openeye Name: acetic acid; 3-amino-5-(4-methylpiperazin-1-yl)-1-propyl-3H-1,4-benzodiazepin-2-one CAS Name: acetic acid; 3-amino-5-(4-methyl-1-piperazinyl)-1-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: acetic acid; 3-amino-5-(4-methylpiperazin-1-yl)-1-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: acetic acid; 3-amino-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-2-one Formula: C19H29N5O3 MolecularWeight: 375.46526

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)N3CCN(CC3)C.CC(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)N3CCN(CC3)C.CC(=O)O

InChI

InChI=1S/C17H25N5O.C2H4O2/c1-3-8-22-14-7-5-4-6-13(14)16(19-15(18)17(22)23)21-11-9-20(2)10-12-21;1-2(3)4/h4-7,15H,3,8-12,18H2,1-2H3;1H3,(H,3,4)