[4-[(3-bromophenyl)amino]-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate

Systemtic Name: [4-[(3-bromophenyl)amino]-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate Openeye Name: [4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate CAS Name: carbamic acid [4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] ester IUPAC Name: [4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] carbamate Traditional Name: carbamic acid [4-(3-bromoanilino)-3-cyano-1,4,4a,8a-tetrahydroquinolin-7-yl] ester Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2C3C=CC(=CC3NC=C2C#N)OC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2C3C=CC(=CC3NC=C2C#N)OC(=O)N

InChI

InChI=1S/C17H15BrN4O2/c18-11-2-1-3-12(6-11)22-16-10(8-19)9-21-15-7-13(24-17(20)23)4-5-14(15)16/h1-7,9,14-16,21-22H,(H2,20,23)