7-chloranyl-5-methyl-5-phenyl-1-(3-pyrrolidin-1-ylpropyl)-4,1-benzoxazepin-2-one

Systemtic Name: 7-chloranyl-5-methyl-5-phenyl-1-(3-pyrrolidin-1-ylpropyl)-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-5-methyl-5-phenyl-1-(3-pyrrolidin-1-ylpropyl)-4,1-benzoxazepin-2-one CAS Name: 7-chloro-5-methyl-5-phenyl-1-[3-(1-pyrrolidinyl)propyl]-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-5-methyl-5-phenyl-1-(3-pyrrolidin-1-ylpropyl)-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-5-methyl-5-phenyl-1-(3-pyrrolidinopropyl)-4,1-benzoxazepin-2-one Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)N(C(=O)CO1)CCCN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)N(C(=O)CO1)CCCN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27ClN2O2/c1-23(18-8-3-2-4-9-18)20-16-19(24)10-11-21(20)26(22(27)17-28-23)15-7-14-25-12-5-6-13-25/h2-4,8-11,16H,5-7,12-15,17H2,1H3