1-ethyl-3-methyl-10-[3-(4-methylpiperazin-1-yl)propanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one

Systemtic Name: 1-ethyl-3-methyl-10-[3-(4-methylpiperazin-1-yl)propanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Openeye Name: 1-ethyl-3-methyl-10-[3-(4-methylpiperazin-1-yl)propanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one CAS Name: 1-ethyl-3-methyl-10-[3-(4-methyl-1-piperazinyl)-1-oxopropyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one IUPAC Name: 1-ethyl-3-methyl-10-[3-(4-methylpiperazin-1-yl)propanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Traditional Name: 1-ethyl-3-methyl-10-[3-(4-methylpiperazino)propanoyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)C(=O)CCN4CCN(CC4)C)C

Isomeric SMILES

CCC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)C(=O)CCN4CCN(CC4)C)C

InChI

InChI=1S/C21H28N6O2/c1-4-15-19-20(25(3)23-15)21(29)22-16-7-5-6-8-17(16)27(19)18(28)9-10-26-13-11-24(2)12-14-26/h5-8H,4,9-14H2,1-3H3,(H,22,29)