4-(3-methoxypropylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(3-methoxypropylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(3-methoxypropylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(3-methoxypropylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(3-methoxypropylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(3-methoxypropylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COCCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

Isomeric SMILES

COCCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-27-10-5-11-28(25,26)24-16-19-12-18(14-22)8-9-21(19)23-15-20(24)13-17-6-3-2-4-7-17/h2-4,6-9,12,20,23H,5,10-11,13,15-16H2,1H3