3-[[(cyanoamino)-[(4-phenoxyphenyl)amino]methylidene]amino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: 3-[[(cyanoamino)-[(4-phenoxyphenyl)amino]methylidene]amino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: 3-[[(cyanoamino)-(4-phenoxyanilino)methylene]amino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: 3-[[(cyanoamino)-(4-phenoxyanilino)methylidene]amino]-3-phenyl-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 3-[[(cyanoamino)-(4-phenoxyanilino)methylidene]amino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: 3-[[(cyanoamino)-(4-phenoxyanilino)methylene]amino]-3-phenyl-N-(2-pyrrolidinoethyl)propionamide Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)CC(C2=CC=CC=C2)N=C(NC#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNC(=O)CC(C2=CC=CC=C2)N=C(NC#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H32N6O2/c30-22-32-29(33-24-13-15-26(16-14-24)37-25-11-5-2-6-12-25)34-27(23-9-3-1-4-10-23)21-28(36)31-17-20-35-18-7-8-19-35/h1-6,9-16,27H,7-8,17-21H2,(H,31,36)(H2,32,33,34)