butanedioic acid; 4-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)methylamino]-N-cycloheptyl-benzamide

Systemtic Name: butanedioic acid; 4-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)methylamino]-N-cycloheptyl-benzamide Openeye Name: 4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)methylamino]-N-cycloheptyl-benzamide; succinic acid CAS Name: butanedioic acid; 4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)methylamino]-N-cycloheptylbenzamide IUPAC Name: butanedioic acid; 4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)methylamino]-N-cycloheptylbenzamide Traditional Name: 4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)methylamino]-N-cycloheptyl-benzamide; succinic acid Formula: C29H38ClN3O5 MolecularWeight: 544.08212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)NCC3=C(C=CC4=C3CCNCC4)Cl.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)NCC3=C(C=CC4=C3CCNCC4)Cl.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H32ClN3O.C4H6O4/c26-24-12-9-18-13-15-27-16-14-22(18)23(24)17-28-20-10-7-19(8-11-20)25(30)29-21-5-3-1-2-4-6-21;5-3(6)1-2-4(7)8/h7-12,21,27-28H,1-6,13-17H2,(H,29,30);1-2H2,(H,5,6)(H,7,8)