(3S)-N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]quinazolin-6-yl]-1-prop-2-enoyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]quinazolin-6-yl]-1-prop-2-enoyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(4-benzyloxy-3-chloro-anilino)quinazolin-6-yl]-1-prop-2-enoyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(3-chloro-4-phenylmethoxyanilino)-6-quinazolinyl]-1-(1-oxoprop-2-enyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(3-chloro-4-phenylmethoxyanilino)quinazolin-6-yl]-1-prop-2-enoylpiperidine-3-carboxamide Traditional Name: (3S)-1-acryloyl-N-[4-(4-benzoxy-3-chloro-anilino)quinazolin-6-yl]nipecotamide Formula: C30H28ClN5O3 MolecularWeight: 542.02802

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCCC(C1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C=CC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H28ClN5O3/c1-2-28(37)36-14-6-9-21(17-36)30(38)35-22-10-12-26-24(15-22)29(33-19-32-26)34-23-11-13-27(25(31)16-23)39-18-20-7-4-3-5-8-20/h2-5,7-8,10-13,15-16,19,21H,1,6,9,14,17-18H2,(H,35,38)(H,32,33,34)/t21-/m0/s1