4-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C20H20N4 MolecularWeight: 316.3996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CC=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CC=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C20H20N4/c21-20-23-18(17-8-4-5-13-22-19(17)24-20)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H3,21,22,23,24)