11-[6-[4-(phenylmethyl)piperazin-1-yl]hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[6-[4-(phenylmethyl)piperazin-1-yl]hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-(4-benzylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[1-oxo-6-[4-(phenylmethyl)-1-piperazinyl]hex-4-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-(4-benzylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-(4-benzylpiperazino)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c35-27(34-26-14-7-6-12-24(26)29(36)31-25-13-9-16-30-28(25)34)15-5-2-8-17-32-18-20-33(21-19-32)22-23-10-3-1-4-11-23/h1,3-4,6-7,9-14,16H,5,15,17-22H2,(H,31,36)