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

Systemtic Name: 3-[[(cyanoamino)-[(4-phenylphenyl)amino]methylidene]amino]-4-phenyl-N-(2-pyrrolidin-1-ylethyl)butanamide Openeye Name: 3-[[(cyanoamino)-(4-phenylanilino)methylene]amino]-4-phenyl-N-(2-pyrrolidin-1-ylethyl)butanamide CAS Name: 3-[[(cyanoamino)-(4-phenylanilino)methylidene]amino]-4-phenyl-N-[2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 3-[[(cyanoamino)-(4-phenylanilino)methylidene]amino]-4-phenyl-N-(2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 3-[[(cyanoamino)-(4-phenylanilino)methylene]amino]-4-phenyl-N-(2-pyrrolidinoethyl)butyramide Formula: C30H34N6O MolecularWeight: 494.63056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)CC(CC2=CC=CC=C2)N=C(NC#N)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNC(=O)CC(CC2=CC=CC=C2)N=C(NC#N)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H34N6O/c31-23-33-30(34-27-15-13-26(14-16-27)25-11-5-2-6-12-25)35-28(21-24-9-3-1-4-10-24)22-29(37)32-17-20-36-18-7-8-19-36/h1-6,9-16,28H,7-8,17-22H2,(H,32,37)(H2,33,34,35)