2-azanyl-4-(3-bromophenyl)-6-(6-morpholin-4-ylpyridin-3-yl)-5-(phenylmethyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-6-(6-morpholin-4-ylpyridin-3-yl)-5-(phenylmethyl)pyridine-3-carbonitrile Openeye Name: 2-amino-5-benzyl-4-(3-bromophenyl)-6-(6-morpholino-3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-6-[6-(4-morpholinyl)-3-pyridinyl]-5-(phenylmethyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-benzyl-4-(3-bromophenyl)-6-(6-morpholin-4-ylpyridin-3-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-5-benzyl-4-(3-bromophenyl)-6-(6-morpholino-3-pyridyl)nicotinonitrile Formula: C28H24BrN5O MolecularWeight: 526.42706

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)C3=C(C(=C(C(=N3)N)C#N)C4=CC(=CC=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)C3=C(C(=C(C(=N3)N)C#N)C4=CC(=CC=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C28H24BrN5O/c29-22-8-4-7-20(16-22)26-23(15-19-5-2-1-3-6-19)27(33-28(31)24(26)17-30)21-9-10-25(32-18-21)34-11-13-35-14-12-34/h1-10,16,18H,11-15H2,(H2,31,33)