5-(3-methoxy-4-phenylmethoxy-phenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3-methoxy-4-phenylmethoxy-phenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-isopropyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-isopropyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H27N3O2S/c1-19(2)21-11-13-24-23(16-21)28(31-32-29(30-24)27-10-7-15-35-27)22-12-14-25(26(17-22)33-3)34-18-20-8-5-4-6-9-20/h4-17,19,31H,18H2,1-3H3