5-ethyl-2-[4-(phenylmethyl)piperazin-1-yl]-8,9-dihydro-7H-pyrimido[5,4-b]azepin-6-one

Systemtic Name: 5-ethyl-2-[4-(phenylmethyl)piperazin-1-yl]-8,9-dihydro-7H-pyrimido[5,4-b]azepin-6-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-ethyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-6-one CAS Name: 5-ethyl-2-[4-(phenylmethyl)-1-piperazinyl]-8,9-dihydro-7H-pyrimido[5,4-b]azepin-6-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-ethyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-6-one Traditional Name: 2-(4-benzylpiperazino)-5-ethyl-8,9-dihydro-7H-pyrimid[5,4-b]azepin-6-one Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CCCC2=NC(=NC=C21)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)CCCC2=NC(=NC=C21)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c1-2-26-19-15-22-21(23-18(19)9-6-10-20(26)27)25-13-11-24(12-14-25)16-17-7-4-3-5-8-17/h3-5,7-8,15H,2,6,9-14,16H2,1H3