[6-(pyridin-2-ylmethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(pyridin-2-ylmethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(2-pyridylmethylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(2-pyridinylmethylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(pyridin-2-ylmethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(2-pyridylmethylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)NCC3=CC=CC=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)NCC3=CC=CC=N3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N7O/c29-20(27-11-4-12-28(14-13-27)21-23-9-3-10-24-21)17-6-7-19(25-15-17)26-16-18-5-1-2-8-22-18/h1-3,5-10,15H,4,11-14,16H2,(H,25,26)