2-(phenylmethyl)-9-pyrimidin-5-yl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole

Systemtic Name: 2-(phenylmethyl)-9-pyrimidin-5-yl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole Openeye Name: 2-benzyl-9-pyrimidin-5-yl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole CAS Name: 2-(phenylmethyl)-9-(5-pyrimidinyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole IUPAC Name: 2-benzyl-9-pyrimidin-5-yl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole Traditional Name: 2-benzyl-9-(5-pyrimidyl)-3,4,5,6-tetrahydro-1H-azepin[4,3-b]indole Formula: C23H22N4 MolecularWeight: 354.44758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)CC3=CC=CC=C3)C4=C(N2)C=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

C1CC2=C(CN(C1)CC3=CC=CC=C3)C4=C(N2)C=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C23H22N4/c1-2-5-17(6-3-1)14-27-10-4-7-22-21(15-27)20-11-18(8-9-23(20)26-22)19-12-24-16-25-13-19/h1-3,5-6,8-9,11-13,16,26H,4,7,10,14-15H2