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

Systemtic Name: 8-methoxy-1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 8-methoxy-1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 8-methoxy-1-methyl-5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 8-methoxy-1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 8-methoxy-1-methyl-5-[3-[4-(2-pyrimidyl)piperazino]propyl]-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C21H30N6O2/c1-24-11-5-17-19(24)18(29-2)6-12-26(20(17)28)10-4-9-25-13-15-27(16-14-25)21-22-7-3-8-23-21/h3,5,7-8,11,18H,4,6,9-10,12-16H2,1-2H3