3-ethyl-10-[3-[4-(phenylmethyl)piperazin-1-yl]butanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one

Systemtic Name: 3-ethyl-10-[3-[4-(phenylmethyl)piperazin-1-yl]butanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Openeye Name: 10-[3-(4-benzylpiperazin-1-yl)butanoyl]-3-ethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one CAS Name: 3-ethyl-10-[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]butyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one IUPAC Name: 10-[3-(4-benzylpiperazin-1-yl)butanoyl]-3-ethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Traditional Name: 10-[3-(4-benzylpiperazino)butanoyl]-3-ethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)N(C3=CC=CC=C3NC2=O)C(=O)CC(C)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=N1)N(C3=CC=CC=C3NC2=O)C(=O)CC(C)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c1-3-32-26-24(18-28-32)33(23-12-8-7-11-22(23)29-27(26)35)25(34)17-20(2)31-15-13-30(14-16-31)19-21-9-5-4-6-10-21/h4-12,18,20H,3,13-17,19H2,1-2H3,(H,29,35)