3-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

Systemtic Name: 3-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one Openeye Name: 3-methyl-10-[6-(1-piperidyl)hex-2-ynyl]-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one CAS Name: 3-methyl-10-[6-(1-piperidinyl)hex-2-ynyl]-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one IUPAC Name: 3-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one Traditional Name: 3-methyl-10-(6-piperidinohex-2-ynyl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=O)NC3=CC=CC=C3N2CC#CCCCN4CCCCC4

Isomeric SMILES

CN1C=CC2=C1C(=O)NC3=CC=CC=C3N2CC#CCCCN4CCCCC4

InChI

InChI=1S/C23H28N4O/c1-25-18-13-21-22(25)23(28)24-19-11-5-6-12-20(19)27(21)17-10-3-2-7-14-26-15-8-4-9-16-26/h5-6,11-13,18H,2,4,7-9,14-17H2,1H3,(H,24,28)