N-cyclopropyl-5-(4-methylphenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine

Systemtic Name: N-cyclopropyl-5-(4-methylphenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Openeye Name: N-cyclopropyl-5-(p-tolyl)-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine CAS Name: N-cyclopropyl-5-(4-methylphenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine IUPAC Name: N-cyclopropyl-5-(4-methylphenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Traditional Name: cyclopropyl-[5-(p-tolyl)-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-yl]amine Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(C(=NC3=C2C=CC=N3)NC4CC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(C(=NC3=C2C=CC=N3)NC4CC4)C5=CC=CS5

InChI

InChI=1S/C22H20N4S/c1-14-6-8-15(9-7-14)19-17-4-2-12-23-21(17)26-22(24-16-10-11-16)20(25-19)18-5-3-13-27-18/h2-9,12-13,16,20H,10-11H2,1H3,(H,23,24,26)