4-[(3-bromophenyl)amino]-7-methoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-7-methoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-7-methoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-7-methoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3-bromoanilino)-7-methoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-7-methoxy-1,4,4a,8a-tetrahydroquinoline-3-carbonitrile Formula: C17H16BrN3O MolecularWeight: 358.23244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2C(C=C1)C(C(=CN2)C#N)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC2C(C=C1)C(C(=CN2)C#N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O/c1-22-14-5-6-15-16(8-14)20-10-11(9-19)17(15)21-13-4-2-3-12(18)7-13/h2-8,10,15-17,20-21H,1H3