3-(phenylmethyl)-4-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-(phenylmethyl)-4-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(1-piperidylsulfonyl)-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-4-(1-piperidinylsulfonyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-piperidinosulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C28H31N5O2S/c29-18-24-11-12-28-26(16-24)21-33(36(34,35)32-14-5-2-6-15-32)27(17-23-8-3-1-4-9-23)22-31(28)20-25-10-7-13-30-19-25/h1,3-4,7-13,16,19,27H,2,5-6,14-15,17,20-22H2