4-oxidanylidene-N,N-bis(pyridin-3-ylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide

Systemtic Name: 4-oxidanylidene-N,N-bis(pyridin-3-ylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide Openeye Name: 4-oxo-N,N-bis(3-pyridylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide CAS Name: 4-oxo-N,N-bis(3-pyridinylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide IUPAC Name: 4-oxo-N,N-bis(pyridin-3-ylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide Traditional Name: 4-keto-N,N-bis(3-pyridylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butyramide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)C(=O)CCC(=O)N(CC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)CCC(=O)N(CC3=CN=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C26H28N4O2/c31-25(24-6-5-22-9-13-27-14-10-23(22)15-24)7-8-26(32)30(18-20-3-1-11-28-16-20)19-21-4-2-12-29-17-21/h1-6,11-12,15-17,27H,7-10,13-14,18-19H2