1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one

Systemtic Name: 1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 1-methyl-5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 1-methyl-5-[3-[4-(2-pyrimidyl)piperazino]propyl]-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C20H28N6O MolecularWeight: 368.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1CCCN(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=CC2=C1CCCN(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H28N6O/c1-23-12-6-17-18(23)5-2-10-25(19(17)27)11-4-9-24-13-15-26(16-14-24)20-21-7-3-8-22-20/h3,6-8,12H,2,4-5,9-11,13-16H2,1H3