4-imidazol-1-yl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine

Systemtic Name: 4-imidazol-1-yl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine Openeye Name: 2-benzyl-4-imidazol-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine CAS Name: 4-(1-imidazolyl)-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine IUPAC Name: 2-benzyl-4-imidazol-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine Traditional Name: 2-benzyl-4-imidazol-1-yl-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepine Formula: C18H19N5 MolecularWeight: 305.37696

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C(=NC(=N2)CC3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

C1CNCCC2=C1C(=NC(=N2)CC3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C18H19N5/c1-2-4-14(5-3-1)12-17-21-16-7-9-19-8-6-15(16)18(22-17)23-11-10-20-13-23/h1-5,10-11,13,19H,6-9,12H2