2-[(5S)-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(5S)-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(5S)-1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-isopropyl-acetamide CAS Name: 2-[(5S)-1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[(5S)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide Traditional Name: 2-[(5S)-1-(2-chloro-4-pyrrolidino-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-isopropyl-acetamide Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

CC(C)NC(=O)C[C@@H]1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

InChI

InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m0/s1