2-phenyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]butanamide

Systemtic Name: 2-phenyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]butanamide Openeye Name: 2-phenyl-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]butanamide CAS Name: 2-phenyl-N-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]butanamide IUPAC Name: 2-phenyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]butanamide Traditional Name: 2-phenyl-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]butyramide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H31N5O/c1-2-24(22-9-4-3-5-10-22)26(32)29-23-11-12-25(28-19-23)31-15-7-14-30(16-17-31)20-21-8-6-13-27-18-21/h3-6,8-13,18-19,24H,2,7,14-17,20H2,1H3,(H,29,32)